Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL326360
SMILES CN1CCN(CC1)c1nc2c(n1C/C=C(/Cl)\C)c(=O)n(c(=O)n2C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C16H23ClN6O2 MW 366.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23ClN6O2/c1-11(17)5-6-23-12-13(20(3)16(25)21(4)14(12)24)18-15(23)22-9-7-19(2)8-10-22/h5H,6-10H2,1-4H3/b11-5+InChIKey
MLZZDBHJBNORIP-VZUCSPMQSA-NSynonyms
332897-97-9(E)7(3chlorobut2en1yl)13dimethyl8(4methylpiperazin1yl)1Hpurine26(3H7H)dione
332897979
7((2E)3chlorobut2en1yl)13dimethyl8(4methylpiperazin1yl)37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)13DIMETHYL8(4METHYLPIPERAZIN1YL)PURINE26DIONE
CC(=CCN1C2=C(N=C1N3CCN(CC3)C)N(C(=O)N(C2=O)C)C)Cl
CN1CCN(CC1)c1nc2c(n1CC=C(Cl)C)c(=O)n(c(=O)n2C)C
InChI=1SC16H23ClN6O2c111(17)56231213(20(3)16(25)21(4)14(12)24)1815(23)229719(2)81022h5H610H214H3b115+
MFCD01878150
ZINC000004786272
ZINC4786272
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